Structural insight and in silico prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide.

In the crystals of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide, the strontium cation is nine-coordinated with a distorted tricapped trigonal prismatic geometry TCTPR-9, whereas the ten-coordinated barium ion exhibits a distorted tetracapped trigonal prismatic geometry TCTPR-10.

Crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II).

The crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II) (systematic name: tetra-ethyl-ammonium N-methane-sulfonyl-4-nitro-2-phen-oxy-anilinide), C8H20N+·C13H11N2O5S-, was determined using single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group P21/c with one tetra-ethyl-ammonium cation and one nimesulide anion in the asymmetric unit. In the crystal, the ions are linked by C-H⋯N and C-H⋯O hydrogen bonds and C-H⋯π inter-actions. There are differences in the geometry of both the nimesulide anion and the tetra-ethyl-ammonium cation in polymorphs I [Rybczynska & Sikorski (2023 ▸). Sci. Rep. 13, 17268] and II of the title compound.

The synthesis, thermal behaviour, spectral and structural characterization, and in silico prediction of pharmacokinetic parameters of tetraalkylammonium salts of non-steroidal anti-inflammatory drug nimesulide.

The synthesis, spectral properties, thermal analysis, structural characterization and in silico prediction of pharmacokinetic parameters of tetramethylammonium (compound 1) and tetraethylammonium (compound 2) salt of nimesulide were described in this article. Both compounds crystallize in the monoclinic P21/n space group, with one tetraalkylammonium cation and one nimesulide anion in the asymmetric unit and their crystal structures are stabilized by C-H···O hydrogen bonds between ions. Additionally, structures of title compounds are stabilized by π-π interactions (compound 1), or C-H···π interactions (compound 2) between nimesulide anions. The TG and DSC measurements show that compound 1 melts at a temperature higher than nimesulide, whereas the compound 2 melts at a temperature lower than nimesulide. The MALDI-TOF, 1H NMR, 13C NMR and ATR-FTIR analyses confirm the SCXRD study, that in compounds 1 and 2 nimesulide exists in an ionized form. Studies performed by SWISS ADME and ProTOX II tools, predict to be oral bioavailability of both salts obtained, and one of them (compound 1) is predicted to be well-absorbed by digestive system, while both compounds obtained are classified into toxicity class 4.

Evaluation of detection and drug resistance of Mycobacterium tuberculosis in patients in the Lódzkie voivodship in 2009-2013.

STUDY AIM: Evaluation of detection and drug resistance of Mycobacterium tuberculosis in patients from the Lódzkie Voivodship in the period 2009 - 2013. MATERIAL AND METHODS: The data presented in the study include information obtained while diagnosing patients from the Lódzkie Voivodship in order to detect infections with Mycobacterium tuberculosis in the period 2009-2013. RESULTS: In 2009-2013 we analyzed clinical specimens for the purpose of detection of Mycobacterium tuberculosis. Tubercle bacilli were confirmed in 5621 specimens in 2196 patients; positive bacterioscopy results were observed in 1724 clinical specimens. In the study period 18 clinical specimens obtained from children contained tubercle bacilli. In the period 2009-2013 we noted multi-drug resistant (MDR) strain in 41 clinical specimens, which made up 1.8% of strains with known results of drug-sensitivity. In 5 clinical specimens we observed extensively-drug resistant (XDR) strain, which made up 0.2% of strains with known results of drug-sensitiveness. 12 clinical specimens appeared to contain pre-XDR strain, which constituted 0.6% of strains with known results of drug-sensitivity. SUMMARY AND CONCLUSIONS: Despite advances in the diagnostics and treatment of tuberculosis (TB) this diseases still poses a serious medical problem. The detection level in the period 2009-2013 is relatively unchanged, with regards to both bacterioscopy and culture methods. Thus, the laboratory detection of tuberculosis bacilli is similar. It directly results from the enforcement of strict procedures regarding the quality of specimens collected for microbiological purposes and the control of the performed tests, which contributes to a greater number of confirmed cases of TB. In the study period the number of new cases of the infectious diseases is variable. Only in children this number remains stable over the years. Researchers observe that tubercle bacilli are resistant to basic first-line treatment drugs. They also note the occurrence of MDR, pre-XDR and XDR strains. Hence, it is important to regularly and carefully monitor the sensitivity of Mycobacterium tuberculosis to antibiotics administered in a long-term anti-tuberculosis therapy.

[MDR, pre-XDR and XDR drug-resistant tuberculosis in Poland in 2000-2009]. / Gruzlica lekooporna typu MDR, pre-XDR i XDR w Polscew latach 2000­2009.

INTRODUCTION: Tuberculosis (TB) is a curable disease and its spread can be prevented by using appropriate diagnostic methods and effective treatment. The obstacle to the rapid eradication of the disease from a population may be strains resistant to essential and most effective antibiotics. In many places in the world MDR, pre-XDR and XDR-TB was reported. These forms of TB do not respond to the standard six-month treatment with first-line anti-TB drugs and the therapy should be conducted two years or more with drugs that are less potent, more toxic and much more expensive. MATERIAL AND METHODS: This study included MDR-TB strains isolated from 297 patients in 2000-2009. To determine the XDR-TB population structure, the 19 isolates were genotyped by spoligotyping and MIRU-VNTR (mycobacterial interspersed repetitive units-variable number of tandem repeats) method. RESULTS: Among 297 MDR-TB cases, 36 (12.1%) were pre-extensively drug-resistant (pre-XDR), 19 (6.4%) were XDR and 1 (0.3%) was pre-totally drug-resistant (pre-TDR). Four of the 19 XDR isolates exhibit a unique spoligopattern, while the rest 15 belonged to one of 5 clusters. The MIRU-VNTR analysis reduced the number of clustered isolates to 11. CONCLUSIONS: The study documented the emergence of pre-extensively and extensively drug-resistant tuberculosis in Poland among patients with multidrug-resistant TB. Genotyping methods showed clonal similarity among XDR strains and may suggest the possible transmission among patients with newly diagnosed and with recurrent TB.